3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid

C14H12FNO3 — CID 134430194

IUPAC3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C14H12FNO3/c15-11-3-4-12(13-10(11)2-1-5-16-13)19-9-6-8(7-9)14(17)18/h1-5,8-9H,6-7H2,(H,17,18)
InChIKeyKIDSQHGDFKWYGM-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.62
Rot. Bonds3

About 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid

3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid (PubChem CID 134430194) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid
PubChem CID134430194
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ccc(F)c3cccnc23)C1
InChIInChI=1S/C14H12FNO3/c15-11-3-4-12(13-10(11)2-1-5-16-13)19-9-6-8(7-9)14(17)18/h1-5,8-9H,6-7H2,(H,17,18)
InChIKeyKIDSQHGDFKWYGM-UHFFFAOYSA-N
XLogP2.62
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid (CID 134430194) is 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid is O=C(O)C1CC(Oc2ccc(F)c3cccnc23)C1.
What is the InChIKey of 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid?
The InChIKey is KIDSQHGDFKWYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-3-4-12(13-10(11)2-1-5-16-13)19-9-6-8(7-9)14(17)18/h1-5,8-9H,6-7H2,(H,17,18).
What are the key properties of 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid?
3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 134430194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).